N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine

C13H24N2O — CID 62066518

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCC1CCC=CO1
InChIInChI=1S/C13H24N2O/c1-2-15-8-5-6-12(15)10-14-11-13-7-3-4-9-16-13/h4,9,12-14H,2-3,5-8,10-11H2,1H3
InChIKeyJDQNPNMQBNOEQX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.75
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine (PubChem CID 62066518) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine
PubChem CID62066518
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCC1CCC=CO1
InChIInChI=1S/C13H24N2O/c1-2-15-8-5-6-12(15)10-14-11-13-7-3-4-9-16-13/h4,9,12-14H,2-3,5-8,10-11H2,1H3
InChIKeyJDQNPNMQBNOEQX-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine
CID 155158107
4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine
CID 155201713
Ethane;2-ethenyl-4-methoxypyrrolidine
CID 168893701
2-(3,4-dihydro-2H-pyran-2-yl)imidazolidine
CID 241742
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55030349
2-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 55030404
1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55030644
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 55030686
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55030740
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 55030742
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine
CID 55030783

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine (CID 62066518) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine is CCN1CCCC1CNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine?
The InChIKey is JDQNPNMQBNOEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-15-8-5-6-12(15)10-14-11-13-7-3-4-9-16-13/h4,9,12-14H,2-3,5-8,10-11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine has a molecular weight of 224.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 62066518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).